UCSF

ZINC36743669

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 27 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) 1.89 6.11 -35.94 3 6 1 70 367.473 6
Mid Mid (pH 6-8) 1.89 5.82 -12.67 2 6 0 69 366.465 6
Lo Low (pH 4.5-6) 1.89 8.05 -46.72 3 6 1 70 367.473 6

Activity (Go SEA)

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