UCSF

ZINC37795393

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.23 1.67 -50.08 2 7 -1 115 303.291 6
Mid Mid (pH 6-8) 0.23 1.86 -100.56 1 7 -2 117 302.283 6
Lo Low (pH 4.5-6) 0.23 -0.12 -52.84 2 7 -1 115 303.291 6
Lo Low (pH 4.5-6) 0.23 -0.3 -15.09 3 7 0 113 304.299 6

Activity (Go SEA)

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