UCSF

ZINC36754546

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 2.82 7.7 -36.85 3 2 1 30 263.449 3
Mid Mid (pH 6-8) 2.82 5.8 -41.12 3 2 1 31 263.449 3
Lo Low (pH 4.5-6) 2.82 8.02 -110.81 4 2 2 32 264.457 3

Activity (Go SEA)

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