UCSF

ZINC22800091

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 24 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) 0.17 -3.66 -7.82 2 7 0 85 334.42 7
Hi High (pH 8-9.5) 0.30 3.2 -43.11 3 7 1 79 335.428 7
Mid Mid (pH 6-8) 0.30 0.9 -11.89 2 7 0 78 334.42 7
Lo Low (pH 4.5-6) 0.30 3.08 -39.45 3 7 1 79 335.428 7

Activity (Go SEA)

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