UCSF

ZINC09184781

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 33 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) 3.76 8.78 -12.81 2 7 0 91 440.503 7
Mid Mid (pH 6-8) 3.76 9.55 -52.35 1 7 -1 94 439.495 7
Lo Low (pH 4.5-6) 3.76 9.24 -44.24 3 7 1 93 441.511 7

Activity (Go SEA)

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