UCSF

ZINC06938584

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2006 24 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) 1.30 3.2 -15.5 2 7 0 103 351.428 3
Hi High (pH 8-9.5) 2.21 1.06 -54.53 1 7 -1 106 350.42 3

Activity (Go SEA)

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