UCSF

ZINC20128691

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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 8.46 -34.41 2 2 1 16 312.275 6
Mid Mid (pH 6-8) 3.49 9.88 -112.01 3 2 2 21 313.283 6
Mid Mid (pH 6-8) 3.49 7.6 -44.76 2 2 1 20 312.275 6

Activity (Go SEA)

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