UCSF

ZINC36999907

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 4.13 9.64 -30.38 2 2 1 16 340.329 5
Mid Mid (pH 6-8) 4.13 8.44 -39.37 2 2 1 20 340.329 5
Lo Low (pH 4.5-6) 4.13 10.64 -102.68 3 2 2 21 341.337 5

Activity (Go SEA)

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