UCSF

ZINC34665301

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 21 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) 3.57 10.72 -52.61 2 3 1 34 284.358 4
Hi High (pH 8-9.5) 3.57 9.62 -8.99 1 3 0 30 283.35 4
Lo Low (pH 4.5-6) 3.57 11.2 -88.92 3 3 2 36 285.366 4

Activity (Go SEA)

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