UCSF

ZINC42743775

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 1.70 2.79 -39.98 3 3 1 40 257.423 7
Hi High (pH 8-9.5) 1.70 2.43 -2.34 2 3 0 38 256.415 7
Mid Mid (pH 6-8) 1.70 4.33 -25.22 3 3 1 40 257.423 7
Mid Mid (pH 6-8) 1.70 5.55 -106.93 4 3 2 41 258.431 7

Activity (Go SEA)

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