UCSF

ZINC19864092

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 0.96 3.81 -96.8 4 4 2 45 265.401 5
Hi High (pH 8-9.5) 0.96 -0.22 -4.07 2 4 0 39 263.385 5
Mid Mid (pH 6-8) 0.96 1.35 -37.21 3 4 1 43 264.393 5

Activity (Go SEA)

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