UCSF

ZINC37324853

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 2.93 6.64 -132.48 4 4 2 51 359.308 7
Mid Mid (pH 6-8) 2.93 4.59 -49.28 3 4 1 49 358.3 7
Mid Mid (pH 6-8) 2.93 7.08 -33.37 3 4 1 49 358.3 7

Activity (Go SEA)

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