UCSF

ZINC36532653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 24 No

CAS Number: 69-53-4

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) -0.87 2.39 -50.89 3 7 -1 116 348.404 4

Activity (Go SEA)

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