UCSF

ZINC41718911

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 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) 2.22 9.41 -64.91 2 5 1 68 287.339 5
Hi High (pH 8-9.5) 2.22 6.57 -52.29 0 5 -1 65 285.323 5
Mid Mid (pH 6-8) 2.22 9 -57.76 1 5 0 67 286.331 5

Activity (Go SEA)

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