UCSF

ZINC13127424

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 27 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) 5.20 9.95 -11.62 1 5 0 58 363.461 4
Mid Mid (pH 6-8) 5.20 10.85 -62.23 0 5 -1 61 362.453 4
Mid Mid (pH 6-8) 4.94 11.75 -44.34 2 5 1 59 364.469 3

Activity (Go SEA)

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