UCSF

ZINC05949011

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 24 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) 5.08 9.91 -10.09 1 2 0 33 311.384 3
Lo Low (pH 4.5-6) 5.08 8.95 -34.83 2 2 1 34 312.392 3
Lo Low (pH 4.5-6) 5.08 9.87 -31.08 2 2 1 34 312.392 3

Activity (Go SEA)

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