UCSF

ZINC23247740

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 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) 2.56 8.22 -46.21 1 3 1 21 304.845 7
Hi High (pH 8-9.5) 2.56 6.08 -4.86 0 3 0 19 303.837 7
Mid Mid (pH 6-8) 2.56 8.55 -42.95 1 3 1 21 304.845 7
Lo Low (pH 4.5-6) 2.56 9.02 -88.28 2 3 2 22 305.853 7

Activity (Go SEA)

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