UCSF

ZINC44677372

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 1.23 3.41 -48.39 3 5 1 72 315.459 10
Hi High (pH 8-9.5) 1.23 2.11 -9.93 2 5 0 67 314.451 10

Activity (Go SEA)

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