UCSF

ZINC36777093

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 1.65 4.52 -50.24 3 3 1 44 248.394 4
Mid Mid (pH 6-8) 1.65 4.81 -103.2 4 3 2 45 249.402 4

Activity (Go SEA)

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