UCSF

ZINC35081354

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) 0.55 3.01 -30.07 3 6 1 73 251.31 4
Mid Mid (pH 6-8) 0.55 2.7 -8.3 2 6 0 72 250.302 4
Lo Low (pH 4.5-6) 0.55 5.18 -91.45 4 6 2 74 252.318 4
Lo Low (pH 4.5-6) 0.55 4.86 -39.25 3 6 1 73 251.31 4

Activity (Go SEA)

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