UCSF

ZINC36996989

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 1.43 5.42 -31.44 2 3 1 29 252.407 3
Lo Low (pH 4.5-6) 1.43 4.43 -36.46 2 3 1 33 252.407 3
Lo Low (pH 4.5-6) 1.43 6.68 -104.64 3 3 2 34 253.415 3

Activity (Go SEA)

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