UCSF

ZINC20143237

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 3.87 6.19 -34.29 3 2 1 29 241.443 4
Hi High (pH 8-9.5) 3.87 6.24 -30.98 3 2 1 29 241.443 4
Mid Mid (pH 6-8) 3.87 7.15 -97.6 4 2 2 33 242.451 4

Activity (Go SEA)

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