UCSF

ZINC36996598

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 4.38 9.25 -31.78 2 2 1 16 314.28 3
Mid Mid (pH 6-8) 4.38 7.94 -37.92 2 2 1 20 314.28 3
Lo Low (pH 4.5-6) 4.38 10.2 -109.31 3 2 2 21 315.288 3

Activity (Go SEA)

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