UCSF

ZINC37140859

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 18 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) 1.67 6.81 -32.41 2 3 1 29 246.378 4
Mid Mid (pH 6-8) 1.67 5.64 -32.87 2 3 1 33 246.378 4
Lo Low (pH 4.5-6) 1.67 7.21 -75.96 3 3 2 31 247.386 4

Activity (Go SEA)

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