UCSF

ZINC45029189

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 23 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) 3.20 7.74 -12.26 2 5 0 68 308.385 6
Lo Low (pH 4.5-6) 3.20 8.19 -32.35 3 5 0 69 309.393 6

Activity (Go SEA)

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