UCSF

ZINC34691445

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 31 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) 0.12 1.68 -14.03 1 8 0 75 439.528 10
Mid Mid (pH 6-8) 0.12 3.97 -47.77 2 8 1 76 440.536 10
Lo Low (pH 4.5-6) 0.12 4 -50.84 2 8 1 76 440.536 10

Activity (Go SEA)

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