UCSF

ZINC51398072

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 18 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) 2.12 5.89 -39.75 3 4 1 53 252.382 8
Hi High (pH 8-9.5) 2.12 5.48 -5.76 2 4 0 51 251.374 8
Mid Mid (pH 6-8) 2.12 5.57 -21.79 3 4 1 53 252.382 8
Lo Low (pH 4.5-6) 2.12 5.97 -100.9 4 4 2 54 253.39 8

Activity (Go SEA)

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