UCSF

ZINC34677677

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 33 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) 1.51 5.43 -50.45 2 9 1 95 464.631 10
Mid Mid (pH 6-8) 1.51 3.15 -11.45 1 9 0 93 463.623 10
Lo Low (pH 4.5-6) 1.51 5.47 -46.69 2 9 1 95 464.631 10

Activity (Go SEA)

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