UCSF

ZINC20064688

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 34 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) 3.55 12.53 -70.12 1 9 0 120 467.522 10
Hi High (pH 8-9.5) 3.55 10.29 -53.67 0 9 -1 119 466.514 10
Lo Low (pH 4.5-6) 3.55 11.57 -56.04 2 9 1 117 468.53 10

Activity (Go SEA)

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