UCSF

ZINC44868180

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 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) 1.58 5.65 -12.99 1 5 0 60 298.342 3
Lo Low (pH 4.5-6) 1.58 6.11 -47.91 2 5 1 62 299.35 3

Activity (Go SEA)

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