UCSF

ZINC20504213

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 20 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) 2.15 6.85 -46.44 4 3 1 57 399.106 3
Mid Mid (pH 6-8) 2.15 6.53 -10.11 3 3 0 55 398.098 3

Activity (Go SEA)

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