UCSF

ZINC37145739

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 15 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) 1.79 5.52 -40.27 1 3 1 31 208.329 1
Mid Mid (pH 6-8) 1.79 5.11 -39.8 1 3 1 31 208.329 1
Mid Mid (pH 6-8) 1.79 3.18 -7.25 0 3 0 30 207.321 1

Activity (Go SEA)

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