UCSF

ZINC42771710

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 0.39 6.18 -25.17 1 4 0 48 244.379 8
Mid Mid (pH 6-8) 0.39 7.16 -56.26 1 4 0 48 244.379 8
Mid Mid (pH 6-8) 0.39 8.84 -60.97 2 4 1 49 245.387 8

Activity (Go SEA)

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