UCSF

ZINC36758429

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 29 No

CAS Number: 251356-45-3

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) 4.53 11.84 -49.83 2 5 -1 89 385.443 5

Activity (Go SEA)

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