UCSF

ZINC37057040

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 0.38 0.81 -55.75 3 7 -1 129 319.746 7
Mid Mid (pH 6-8) 0.38 0.98 -104.08 2 7 -2 131 318.738 7
Lo Low (pH 4.5-6) 0.38 -1 -51.29 3 7 -1 129 319.746 7

Activity (Go SEA)

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