UCSF

ZINC13118780

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 35 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) 4.73 13.65 -40.24 2 6 1 63 478.498 5
Mid Mid (pH 6-8) 4.73 13.32 -11.83 1 6 0 61 477.49 5
Lo Low (pH 4.5-6) 4.73 14.13 -95.26 3 6 2 64 479.506 5

Activity (Go SEA)

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