UCSF

ZINC36999908

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 9.76 -30.57 2 2 1 16 340.329 5
Mid Mid (pH 6-8) 4.13 8.41 -39.41 2 2 1 20 340.329 5
Lo Low (pH 4.5-6) 4.13 10.61 -102.76 3 2 2 21 341.337 5

Activity (Go SEA)

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