UCSF

ZINC19691207

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 23 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) -0.01 -0.65 -62.63 6 7 1 110 391.286 12
Mid Mid (pH 6-8) -0.01 0.92 -139.14 7 7 2 115 392.294 12
Lo Low (pH 4.5-6) -0.01 -0.59 -53.65 6 7 1 110 391.286 12

Activity (Go SEA)

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