UCSF

ZINC08487674

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2006 23 No

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) 4.88 6.78 -11.16 2 5 0 70 325.393 4
Hi High (pH 8-9.5) 4.88 7.55 -53.85 1 5 -1 73 324.385 4
Mid Mid (pH 6-8) 3.95 6.91 -38.49 3 5 1 68 326.401 5

Activity (Go SEA)

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