UCSF

ZINC41196077

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 19 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) 3.20 7.86 -30.12 2 2 1 29 291.465 3
Mid Mid (pH 6-8) 3.20 6.08 -5.88 1 2 0 25 290.457 3

Activity (Go SEA)

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