UCSF

ZINC20219715

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 32 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) 1.93 8.15 -59.65 2 9 0 120 443.5 10
Hi High (pH 8-9.5) 1.93 6.1 -49.07 1 9 -1 119 442.492 10
Lo Low (pH 4.5-6) 2.02 7.98 -56.2 2 9 1 114 444.508 10

Activity (Go SEA)

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