UCSF

ZINC31283194

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 19 Yes

CAS Number: 79874-76-3

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) 4.02 4.5 -4.8 1 3 0 33 271.445 10
Mid Mid (pH 6-8) 4.02 6.75 -33.32 2 3 1 34 272.453 10

Activity (Go SEA)

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