UCSF

ZINC42782202

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 2.04 4.62 -50.68 2 5 1 63 315.459 8
Hi High (pH 8-9.5) 2.04 3.45 -7.74 1 5 0 59 314.451 8

Activity (Go SEA)

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