UCSF

ZINC35159903

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 21 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) 3.18 6.6 -41.08 3 4 1 46 329.251 4
Mid Mid (pH 6-8) 3.18 7.59 -112.1 4 4 2 50 330.259 4

Activity (Go SEA)

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