UCSF

ZINC20868962

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 19 No

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) 1.50 6.64 -47.2 1 5 1 45 268.381 3
Hi High (pH 8-9.5) 1.50 4.44 -6.52 0 5 0 44 267.373 3

Activity (Go SEA)

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