UCSF

ZINC12397066

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 21 Yes

CAS Number: 1172804-59-9

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) 1.41 0.83 -10.5 0 7 0 83 286.291 4

Activity (Go SEA)

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