UCSF

ZINC15133940

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2008 9 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) -2.42 -3.29 -207.18 9 3 3 83 132.231 0
Hi High (pH 8-9.5) -2.42 -2.97 -37.7 7 3 1 80 130.215 0
Mid Mid (pH 6-8) -2.42 -3.61 -111.23 8 3 2 81 131.223 0

Activity (Go SEA)

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