UCSF

ZINC60255549

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 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) 2.00 6.42 -39.86 3 3 1 54 230.287 4
Mid Mid (pH 6-8) 2.00 6.11 -6.1 2 3 0 52 229.279 4

Activity (Go SEA)

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