UCSF

ZINC50887034

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2010 14 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) 2.60 4.91 -4.53 3 3 0 51 193.294 5
Mid Mid (pH 6-8) 2.60 5.25 -25.84 4 3 1 52 194.302 5

Activity (Go SEA)

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