UCSF

ZINC19447383

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 21 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) 2.16 0.63 -44.84 1 6 -1 81 312.415 6
Mid Mid (pH 6-8) 2.16 2.9 -63.48 2 6 0 82 313.423 6
Lo Low (pH 4.5-6) 2.16 3.28 -78.99 3 6 1 84 314.431 6

Activity (Go SEA)

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