UCSF

ZINC20358558

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.95 5.18 -36.44 3 4 1 46 270.441 8
Mid Mid (pH 6-8) 1.95 6.48 -103.38 4 4 2 50 271.449 8
Mid Mid (pH 6-8) 1.95 4.23 -40.84 3 4 1 49 270.441 8

Activity (Go SEA)

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