UCSF

ZINC27522296

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 25 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) 4.64 8.4 -15.2 1 4 0 63 329.355 3
Mid Mid (pH 6-8) 4.64 9.19 -52.8 0 4 -1 66 328.347 3
Lo Low (pH 4.5-6) 4.64 8.78 -35.91 2 4 1 65 330.363 3

Activity (Go SEA)

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