UCSF

ZINC12358848

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 36 Yes

CAS Number: 62152-67-4

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) 8.31 -2.38 -7.59 5 4 0 70 471.604 7

Activity (Go SEA)

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