UCSF

ZINC32722813

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 32 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) 0.89 10.24 -60.57 1 9 1 86 442.54 5
Hi High (pH 8-9.5) 0.89 7.9 -23.23 0 9 0 84 441.532 5

Activity (Go SEA)

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