UCSF

ZINC19795799

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 10 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) 0.71 3.14 -107.35 4 2 2 32 146.278 4
Hi High (pH 8-9.5) 0.71 2.65 -24.91 3 2 1 30 145.27 4

Activity (Go SEA)

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