UCSF

ZINC08644042

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2007 25 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) 2.50 7.65 -57.96 1 5 -1 70 348.407 4
Lo Low (pH 4.5-6) 2.04 9.81 -14.94 2 5 0 67 349.415 4

Activity (Go SEA)

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