UCSF

ZINC20358152

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 30 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) 3.45 6.6 -17.02 1 7 0 81 411.454 6
Hi High (pH 8-9.5) 3.45 7.04 -46.79 0 7 -1 84 410.446 6
Lo Low (pH 4.5-6) 3.45 8.95 -60.14 2 7 1 83 412.462 6

Activity (Go SEA)

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