UCSF

ZINC34855213

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 29 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) 3.74 7.73 -15.27 1 6 0 59 428.842 4
Mid Mid (pH 6-8) 3.91 8.12 -33.04 2 6 1 64 429.85 4

Activity (Go SEA)

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