UCSF

ZINC19847953

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 15 Yes

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) 2.45 3.69 -43.04 4 3 1 65 238.361 4
Lo Low (pH 4.5-6) 1.50 3.43 -149.42 6 3 2 68 239.369 3

Activity (Go SEA)

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