UCSF

ZINC34677163

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 32 Yes

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) 1.75 4.23 -96.54 4 8 2 87 447.555 8
Mid Mid (pH 6-8) 1.75 1.97 -41.34 3 8 1 86 446.547 8

Activity (Go SEA)

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