UCSF

ZINC44264276

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 14 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) -0.44 2.88 -59.12 4 4 1 69 191.258 3
Hi High (pH 8-9.5) -0.44 2.21 -39.01 3 4 0 68 190.25 3
Hi High (pH 8-9.5) -0.44 2.63 -7.72 3 4 0 68 190.25 3

Activity (Go SEA)

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