UCSF

ZINC20057016

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 16 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) 0.34 0.86 -51.16 4 4 1 63 222.312 6
Hi High (pH 8-9.5) 0.34 -0.51 -8.3 3 4 0 58 221.304 6
Mid Mid (pH 6-8) 0.35 1.95 -45.66 4 4 1 60 222.312 6

Activity (Go SEA)

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