UCSF

ZINC27099721

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 26 Yes

CAS Number: 85026-51-3

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) 3.68 8.33 -52.32 2 4 -1 81 359.486 8
Lo Low (pH 4.5-6) 3.68 7.21 -14.88 3 4 0 78 360.494 8

Activity (Go SEA)

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