UCSF

ZINC63051060

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2011 20 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) 1.59 5.03 -85.98 4 4 2 45 279.428 8
Hi High (pH 8-9.5) 1.59 4.62 -33.89 3 4 1 43 278.42 8
Lo Low (pH 4.5-6) 1.59 7.37 -192.57 5 4 3 46 280.436 8

Activity (Go SEA)

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