UCSF

ZINC44197355

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 15 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) 0.32 5 -39.2 3 3 0 68 252.072 3
Hi High (pH 8-9.5) 0.32 4.7 -43.03 2 3 -1 66 251.064 3

Activity (Go SEA)

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