UCSF

ZINC42463143

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.93 3.91 -48.34 0 6 -1 78 236.251 2
Mid Mid (pH 6-8) 0.93 4.05 -34.29 1 6 0 80 237.259 2

Activity (Go SEA)

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