UCSF

ZINC42782378

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) 1.88 4.88 -51.41 2 5 1 63 315.459 9
Hi High (pH 8-9.5) 1.88 3.51 -7.83 1 5 0 59 314.451 9

Activity (Go SEA)

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