UCSF

ZINC36778559

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.84 7.21 -41.44 2 2 1 20 263.38 4
Mid Mid (pH 6-8) 2.84 9.68 -32.88 2 2 1 16 263.38 4
Lo Low (pH 4.5-6) 2.84 9.57 -106.48 3 2 2 21 264.388 4

Activity (Go SEA)

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