UCSF

ZINC34676300

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 36 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) 1.66 9.48 -24.51 0 9 0 82 492.624 5
Mid Mid (pH 6-8) 1.66 11.71 -64.62 1 9 1 83 493.632 5

Activity (Go SEA)

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