UCSF

ZINC19798154

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 19 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) 0.72 -1.3 -6.13 3 5 0 62 265.357 6
Mid Mid (pH 6-8) 0.72 1.03 -33.46 4 5 1 63 266.365 6
Mid Mid (pH 6-8) 0.72 0.95 -36.71 4 5 1 63 266.365 6

Activity (Go SEA)

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