UCSF

ZINC03831357

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 30 Yes

CAS Numbers: 151006-14-3 , 81093-37-0

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) 2.15 6.88 -57.17 3 7 -1 127 423.526 11

Activity (Go SEA)

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