UCSF

ZINC34992267

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 0.99 6.76 -7.91 1 3 0 30 211.268 4
Mid Mid (pH 6-8) 0.99 7.27 -33.08 2 3 1 31 212.276 4
Mid Mid (pH 6-8) 0.99 8.14 -50.66 2 3 1 34 212.276 4
Lo Low (pH 4.5-6) 0.99 8.65 -87.72 3 3 2 36 213.284 4

Activity (Go SEA)

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