UCSF

ZINC32609542

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 28 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) 5.29 9.37 -38.4 2 5 1 64 396.536 4
Hi High (pH 8-9.5) 5.29 8.97 -14.08 1 5 0 62 395.528 4

Activity (Go SEA)

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