UCSF

ZINC43413688

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 1.44 4.91 -69.67 4 5 0 97 284.4 7
Mid Mid (pH 6-8) 1.44 4.61 -43.11 3 5 -1 95 283.392 7
Lo Low (pH 4.5-6) 1.44 2.93 -48.42 5 5 1 94 285.408 7

Activity (Go SEA)

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