UCSF

ZINC33852261

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 19 Yes

CAS Number: 58503-83-6

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) 2.53 4.47 -45.42 3 4 1 70 263.361 7
Hi High (pH 8-9.5) 2.53 3.28 -11.06 2 4 0 65 262.353 7

Activity (Go SEA)

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