UCSF

ZINC19359665

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 28 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) 3.49 9.74 -44.72 1 5 1 35 385.528 9
Mid Mid (pH 6-8) 3.49 9.8 -46.13 1 5 1 35 385.528 9
Mid Mid (pH 6-8) 3.49 7.42 -8.18 0 5 0 34 384.52 9

Activity (Go SEA)

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