UCSF

ZINC32124033

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 28 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.22 10.95 -48.4 1 8 1 88 384.46 3
Lo Low (pH 4.5-6) 2.22 11.35 -106.09 2 8 2 90 385.468 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )