UCSF

ZINC33641892

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 13 Yes

CAS Number: 93627-52-2

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) 2.41 8.04 -32.48 1 1 1 4 176.283 1
Mid Mid (pH 6-8) 2.41 5.77 -2.48 0 1 0 3 175.275 1

Activity (Go SEA)

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