UCSF

ZINC61992450

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 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) 3.15 7.48 -34.24 2 2 1 16 274.215 6
Hi High (pH 8-9.5) 3.15 5.18 -3.99 1 2 0 15 273.207 6
Mid Mid (pH 6-8) 3.15 6.56 -40.12 2 2 1 20 274.215 6
Mid Mid (pH 6-8) 3.15 8.85 -113.39 3 2 2 21 275.223 6

Activity (Go SEA)

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