UCSF

ZINC37800363

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.18 3.11 -46.91 3 5 1 64 291.419 5
Hi High (pH 8-9.5) 0.18 2.81 -10.15 2 5 0 62 290.411 5
Mid Mid (pH 6-8) 0.18 5.34 -112.71 4 5 2 65 292.427 5

Activity (Go SEA)

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