UCSF

ZINC13633306

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 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) 2.19 4.95 -51.33 0 6 -1 78 334.355 3
Lo Low (pH 4.5-6) 1.74 7.42 -10.73 1 6 0 75 335.363 3

Activity (Go SEA)

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