UCSF

ZINC34668532

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 34 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) 4.30 11.5 -45.27 2 6 1 59 474.503 8
Mid Mid (pH 6-8) 4.30 9.27 -9.74 1 6 0 58 473.495 8

Activity (Go SEA)

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