UCSF

ZINC33577213

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 32 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) 4.21 8.73 -17.12 3 6 0 87 432.499 7
Mid Mid (pH 6-8) 4.21 9.19 -44.04 4 6 1 88 433.507 7

Activity (Go SEA)

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