UCSF

ZINC21806997

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 3.65 10.84 -124.57 3 2 2 21 262.441 6
Hi High (pH 8-9.5) 3.65 8.29 -1.35 1 2 0 15 260.425 6
Mid Mid (pH 6-8) 3.65 8.84 -40.71 2 2 1 20 261.433 6

Activity (Go SEA)

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