UCSF

ZINC23243175

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 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) 5.35 10.78 -10.35 2 4 0 58 499.206 5
Mid Mid (pH 6-8) 5.80 11.02 -36.4 2 4 0 65 499.206 5
Mid Mid (pH 6-8) 5.80 9.73 -36.57 1 4 -1 61 498.198 5

Activity (Go SEA)

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