UCSF

ZINC04228177

Substance Information

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

CAS Number: 3002-77-5

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) 1.95 5.99 -13.51 0 2 0 26 194.237 0
Lo Low (pH 4.5-6) 1.95 6.39 -29.71 1 2 1 27 195.245 0
Lo Low (pH 4.5-6) 1.95 6.78 -84.93 2 2 2 28 196.253 0
Lo Low (pH 4.5-6) 1.95 6.39 -27.14 1 2 1 27 195.245 0

Activity (Go SEA)

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