UCSF

ZINC20309306

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 36 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) 3.06 7.77 -55.39 1 9 -1 119 493.536 9
Hi High (pH 8-9.5) 3.06 8.61 -134.11 0 9 -2 122 492.528 9
Mid Mid (pH 6-8) 3.06 10.1 -77.95 2 9 0 121 494.544 9

Activity (Go SEA)

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