UCSF

ZINC19855507

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 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) 1.94 5.64 -8.27 0 3 0 21 215.3 1
Mid Mid (pH 6-8) 1.94 7.81 -42.44 1 3 1 22 216.308 1
Mid Mid (pH 6-8) 1.94 6.06 -24.35 1 3 1 22 216.308 1

Activity (Go SEA)

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