UCSF

ZINC20256176

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.08 0.44 -13.76 2 6 0 92 268.294 3
Hi High (pH 8-9.5) 1.08 0.51 -39.42 1 6 -1 95 267.286 3

Activity (Go SEA)

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