UCSF

ZINC21715226

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 23 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) 3.21 8.25 -69.12 2 5 0 69 313.401 5
Hi High (pH 8-9.5) 3.21 5.97 -52.22 1 5 -1 68 312.393 5
Mid Mid (pH 6-8) 3.21 8.68 -97.59 3 5 1 71 314.409 5

Activity (Go SEA)

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