UCSF

ZINC20543188

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 29 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) 2.70 10.94 -43.99 1 6 1 64 396.511 6
Mid Mid (pH 6-8) 2.70 9.4 -20.19 0 6 0 63 395.503 6
Lo Low (pH 4.5-6) 2.70 11.39 -81.94 2 6 2 65 397.519 6

Activity (Go SEA)

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