UCSF

ZINC14787228

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 4.03 10.15 -46.27 2 4 1 46 348.467 4
Hi High (pH 8-9.5) 4.03 7.97 -9.57 1 4 0 45 347.459 4
Mid Mid (pH 6-8) 3.85 9.1 -30.98 1 4 0 53 347.459 4

Activity (Go SEA)

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