UCSF

ZINC19372171

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) 3.03 8.19 -34.01 1 2 1 8 245.39 3
Hi High (pH 8-9.5) 3.03 5.93 -1.89 0 2 0 6 244.382 3
Mid Mid (pH 6-8) 3.03 8.26 -34.4 1 2 1 8 245.39 3

Activity (Go SEA)

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