UCSF

ZINC21131310

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 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) 0.16 2.95 -63.99 4 6 1 93 293.372 3
Mid Mid (pH 6-8) 0.62 1.87 -54.48 3 6 0 96 292.364 3
Mid Mid (pH 6-8) 0.16 0.79 -19.15 3 6 0 92 292.364 3

Activity (Go SEA)

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