UCSF

ZINC19913001

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) 2.98 5.5 -32.58 3 3 1 37 263.405 6
Hi High (pH 8-9.5) 2.98 5.39 -34.08 2 3 0 43 262.397 6
Mid Mid (pH 6-8) 2.98 4.6 -39.32 3 3 1 40 263.405 6

Activity (Go SEA)

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