UCSF

ZINC12397043

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 24 Yes

CAS Number: 1170468-79-7

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) 1.86 2.14 -10.2 0 7 0 75 327.388 4

Activity (Go SEA)

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