UCSF

ZINC40420308

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 28 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) 3.70 4.48 -52.15 1 6 -1 94 423.442 6
Mid Mid (pH 6-8) 3.70 4.52 -127.9 0 6 -2 96 422.434 6
Lo Low (pH 4.5-6) 3.70 4.45 -18.07 2 6 0 92 424.45 6

Activity (Go SEA)

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