UCSF

ZINC28604515

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2009 22 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) 3.47 6.26 -54.15 2 5 -1 81 307.414 7
Lo Low (pH 4.5-6) 3.47 5.14 -15.88 3 5 0 78 308.422 7

Activity (Go SEA)

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