UCSF

ZINC19590049

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 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) 1.92 5.6 -34.64 1 3 1 17 221.324 4
Mid Mid (pH 6-8) 1.92 5.48 -34.21 1 3 1 17 221.324 4
Mid Mid (pH 6-8) 1.92 3.22 -4.35 0 3 0 16 220.316 4

Activity (Go SEA)

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