UCSF

ZINC27708400

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 19 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) -0.36 3.15 -51.86 3 4 1 57 257.361 7
Hi High (pH 8-9.5) -0.36 5.01 -47.74 3 4 1 56 257.361 7
Hi High (pH 8-9.5) -0.36 2.79 -7.22 2 4 0 55 256.353 7
Mid Mid (pH 6-8) -0.36 5.38 -124.57 4 4 2 58 258.369 7

Activity (Go SEA)

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