UCSF

ZINC41678395

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 2.87 10 -44.58 3 4 1 48 261.393 5
Hi High (pH 8-9.5) 2.87 7.88 -7.41 2 4 0 47 260.385 5
Mid Mid (pH 6-8) 2.87 10.21 -89.02 4 4 2 50 262.401 5

Activity (Go SEA)

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