UCSF

ZINC49900388

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 19 No

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) -1.19 2.57 -18.48 0 7 0 70 271.317 5
Mid Mid (pH 6-8) -1.19 4.76 -52.48 1 7 1 71 272.325 5

Activity (Go SEA)

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