UCSF

ZINC19427265

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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) 1.44 4.18 -35.2 2 4 1 40 254.398 3
Hi High (pH 8-9.5) 1.44 2.92 -6.32 1 4 0 36 253.39 3
Mid Mid (pH 6-8) 1.44 6.48 -93.75 3 4 2 41 255.406 3

Activity (Go SEA)

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