UCSF

ZINC43400979

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.81 6.42 -34.55 4 4 1 68 261.393 4
Mid Mid (pH 6-8) 1.81 6.47 -4.92 3 4 0 66 260.385 4
Lo Low (pH 4.5-6) 1.81 7 -89.73 5 4 2 69 262.401 4

Activity (Go SEA)

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