UCSF

ZINC03870588

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 21 Yes

CAS Number: 73804-64-5

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) 5.71 10.24 -48.17 1 3 -1 60 295.443 14
Lo Low (pH 4.5-6) 5.71 9.12 -9.62 2 3 0 58 296.451 14

Activity (Go SEA)

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