UCSF

ZINC37333417

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 1.77 8.42 -43.35 1 4 0 58 263.318 3
Mid Mid (pH 6-8) 1.77 6.22 -51.7 0 4 -1 57 262.31 3

Activity (Go SEA)

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