UCSF

ZINC32733970

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 25 Yes

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) 5.03 11.28 -52.62 2 3 1 34 384.302 6
Hi High (pH 8-9.5) 5.03 8.83 -6.69 1 3 0 32 383.294 6

Activity (Go SEA)

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