UCSF

ZINC13209089

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 25 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) 3.66 13.3 -40.68 1 3 1 22 334.487 4
Mid Mid (pH 6-8) 3.66 11.04 -7.77 0 3 0 21 333.479 4
Lo Low (pH 4.5-6) 3.66 13.74 -87.68 2 3 2 24 335.495 4

Activity (Go SEA)

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