UCSF

ZINC20579115

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 17 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) 3.17 7.54 -8.23 2 3 0 44 229.327 2
Mid Mid (pH 6-8) 3.17 7.69 -30.4 3 3 1 45 230.335 2

Activity (Go SEA)

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