UCSF

ZINC01846243

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2005 26 Yes

CAS Number: 60576-13-8

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) 4.65 1.51 -15.75 1 4 0 59 344.414 5
Lo Low (pH 4.5-6) 4.65 1.15 -34.18 2 4 1 60 345.422 5

Activity (Go SEA)

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