UCSF

ZINC78760156

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2012 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) 2.95 11.22 -44.83 2 3 1 34 284.427 4
Hi High (pH 8-9.5) 2.95 10.02 -5.54 1 3 0 30 283.419 4
Lo Low (pH 4.5-6) 2.95 11.74 -84.74 3 3 2 36 285.435 4

Activity (Go SEA)

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