UCSF

ZINC36754163

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 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) 1.34 2.62 -50.72 4 5 1 73 291.4 3
Mid Mid (pH 6-8) 1.15 3.7 -37.74 3 5 0 79 290.392 3
Lo Low (pH 4.5-6) 1.34 4.81 -118.53 5 5 2 74 292.408 3

Activity (Go SEA)

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