UCSF

ZINC35819108

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 31 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) 0.09 5.44 -48.95 2 9 1 92 433.577 11
Mid Mid (pH 6-8) 0.09 7.7 -90.79 3 9 2 93 434.585 11

Activity (Go SEA)

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