UCSF

ZINC33823842

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 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) -5.04 -9.71 -301 15 9 4 190 310.395 3
Mid Mid (pH 6-8) -5.04 -10.31 -168.24 14 9 3 188 309.387 3
Mid Mid (pH 6-8) -5.04 -10.07 -203.52 14 9 3 188 309.387 3

Activity (Go SEA)

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