UCSF

ZINC44684191

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 2.58 5.96 -36.72 2 3 1 29 261.389 5
Hi High (pH 8-9.5) 2.58 5 -3.02 1 3 0 24 260.381 5
Mid Mid (pH 6-8) 2.58 7.34 -32.2 2 3 1 26 261.389 5

Activity (Go SEA)

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