UCSF

ZINC33822153

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 22 Yes

CAS Number: 60037-58-3

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) 8.47 15.81 -43.38 0 2 -1 40 309.514 17
Lo Low (pH 4.5-6) 8.47 13.84 -5.17 1 2 0 37 310.522 17

Activity (Go SEA)

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