UCSF

ZINC38276412

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 12 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) -4.31 -3.79 -10.34 2 6 0 93 174.108 0
Hi High (pH 8-9.5) -4.31 -2.68 -98.24 0 6 -2 99 172.092 0
Mid Mid (pH 6-8) -4.31 -3.23 -42.21 1 6 -1 96 173.1 0

Activity (Go SEA)

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