UCSF

ZINC44609980

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) 1.51 2.9 -35.51 3 3 1 44 240.396 4
Mid Mid (pH 6-8) 1.51 4.76 -113.86 4 3 2 45 241.404 4

Activity (Go SEA)

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