UCSF

ZINC19809611

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 21 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) 3.20 6.48 -43 4 3 1 57 293.475 5
Mid Mid (pH 6-8) 3.20 6.18 -4.74 3 3 0 55 292.467 5

Activity (Go SEA)

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