UCSF

ZINC34355486

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 40 Yes

CAS Numbers: 116942-09-7 , 202748-68-3 , [202748-68-3]

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) 9.50 23.84 -7.57 0 2 0 6 514.672 8

Activity (Go SEA)

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