UCSF

ZINC52540785

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 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) 2.80 5.35 -27.43 2 3 1 29 257.442 7
Hi High (pH 8-9.5) 2.80 4.36 -0.97 1 3 0 24 256.434 7
Mid Mid (pH 6-8) 2.80 7.35 -107.08 3 3 2 30 258.45 7

Activity (Go SEA)

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