UCSF

ZINC20075301

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 17 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) 1.01 2.97 -51.23 3 4 1 49 237.371 4
Lo Low (pH 4.5-6) 1.01 5.12 -125.21 4 4 2 50 238.379 4

Activity (Go SEA)

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