UCSF

ZINC36875171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) -0.29 1.81 -46.05 3 5 1 59 281.376 5
Hi High (pH 8-9.5) -0.29 1.41 -5.55 2 5 0 57 280.368 5
Lo Low (pH 4.5-6) -0.29 3.74 -130.56 4 5 2 60 282.384 5

Activity (Go SEA)

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