UCSF

ZINC34677812

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 34 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) 1.94 7.67 -98.62 3 8 2 79 469.63 7
Hi High (pH 8-9.5) 1.94 3.25 -9.14 1 8 0 76 467.614 7
Mid Mid (pH 6-8) 1.94 5.52 -47.95 2 8 1 77 468.622 7
Mid Mid (pH 6-8) 1.94 5.4 -41.1 2 8 1 77 468.622 7

Activity (Go SEA)

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