UCSF

ZINC12531756

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 18 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) -0.59 2.12 -10.21 3 8 0 105 253.262 5
Hi High (pH 8-9.5) -0.13 0.81 -38.08 2 8 -1 108 252.254 5

Activity (Go SEA)

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