UCSF

ZINC36199250

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 1.18 2.6 -46.93 3 5 1 59 283.392 11
Mid Mid (pH 6-8) 1.18 3.86 -87.95 4 5 2 60 284.4 11

Activity (Go SEA)

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