UCSF

ZINC09212394

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 34 No

CAS Number: 1258-84-0

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) 5.67 12.96 -17.12 1 4 0 64 464.646 2
Ref Reference (pH 7) 6.18 10.82 -10.94 2 4 0 67 464.646 2

Activity (Go SEA)

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