UCSF

ZINC36829030

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 19 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) 0.27 0.18 -35.98 1 6 -1 94 278.313 4
Mid Mid (pH 6-8) 0.27 0.01 -16.94 2 6 0 92 279.321 4
Lo Low (pH 4.5-6) 0.27 0.64 -43.39 2 6 0 95 279.321 4
Lo Low (pH 4.5-6) 0.27 0.47 -49.65 3 6 1 93 280.329 4

Activity (Go SEA)

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