UCSF

ZINC09243115

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 33 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) 5.04 12.66 -38.43 0 5 -1 70 442.466 6
Ref Reference (pH 7) 5.04 12.93 -58.88 0 5 -1 70 442.466 7
Mid Mid (pH 6-8) 5.04 12.31 -23.49 1 5 0 67 443.474 6
Mid Mid (pH 6-8) 4.46 2.11 -24.06 0 5 0 63 443.474 7
Lo Low (pH 4.5-6) 5.04 12.04 -14.67 1 5 0 67 443.474 7

Activity (Go SEA)

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