UCSF

ZINC32232498

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 30 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) 5.61 15.78 -30.24 1 2 1 17 389.522 5
Mid Mid (pH 6-8) 5.61 14.88 -5.88 0 2 0 16 388.514 5

Activity (Go SEA)

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