UCSF

ZINC22931748

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 1.46 9.24 -38.95 1 4 1 33 311.453 7
Hi High (pH 8-9.5) 1.46 5.78 -5.44 0 4 0 32 310.445 7
Mid Mid (pH 6-8) 1.46 8.2 -36.13 1 4 1 33 311.453 7
Lo Low (pH 4.5-6) 1.46 8.85 -88.83 2 4 2 35 312.461 7

Activity (Go SEA)

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