UCSF

ZINC37241672

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 14 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) 2.29 5.85 -30.64 2 2 1 16 197.346 3
Mid Mid (pH 6-8) 2.29 4.85 -34.87 2 2 1 20 197.346 3
Mid Mid (pH 6-8) 2.29 7.03 -99.11 3 2 2 21 198.354 3

Activity (Go SEA)

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