UCSF

ZINC21798977

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 4.08 8.69 -38.13 2 2 1 20 271.428 5
Mid Mid (pH 6-8) 4.08 9.6 -32.82 2 2 1 16 271.428 5
Lo Low (pH 4.5-6) 4.08 10.82 -118.3 3 2 2 21 272.436 5

Activity (Go SEA)

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