UCSF

ZINC52004733

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 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) 1.89 5.65 -40.35 3 4 1 51 302.442 4
Lo Low (pH 4.5-6) 1.89 7.91 -116.14 4 4 2 52 303.45 4

Activity (Go SEA)

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