UCSF

ZINC19369629

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 26 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) 2.47 9.21 -81.31 2 4 2 15 358.574 4
Hi High (pH 8-9.5) 2.47 6.94 -37.61 1 4 1 14 357.566 4
Mid Mid (pH 6-8) 2.47 11.43 -189.76 3 4 3 17 359.582 4
Mid Mid (pH 6-8) 2.47 9.02 -108.52 2 4 2 15 358.574 4
Mid Mid (pH 6-8) 2.47 9.42 -78.92 2 4 2 15 358.574 4
Lo Low (pH 4.5-6) 2.47 9.18 -104.15 2 4 2 15 358.574 4

Activity (Go SEA)

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