UCSF

ZINC19536649

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 16 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) 1.67 5.25 -36.42 1 3 1 17 221.324 3
Mid Mid (pH 6-8) 1.67 5.13 -34.85 1 3 1 17 221.324 3
Mid Mid (pH 6-8) 1.67 2.79 -4.17 0 3 0 16 220.316 3

Activity (Go SEA)

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