UCSF

ZINC49412271

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 21 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) 1.01 6.29 -8.25 0 5 0 50 310.419 7
Mid Mid (pH 6-8) 1.01 8.51 -46.29 1 5 1 51 311.427 7

Activity (Go SEA)

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