UCSF

ZINC37323430

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.34 6.43 -33.51 2 3 1 20 260.405 4
Mid Mid (pH 6-8) 2.34 6.43 -34.2 2 3 1 20 260.405 4
Mid Mid (pH 6-8) 2.34 4.16 -3.26 1 3 0 19 259.397 4

Activity (Go SEA)

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