UCSF

ZINC26439282

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 22 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) 2.12 6.46 -39.96 2 5 1 50 323.486 4
Hi High (pH 8-9.5) 1.94 5.39 -52.32 1 5 0 56 322.478 4
Mid Mid (pH 6-8) 2.68 5.79 -33.8 2 5 1 53 323.486 3
Mid Mid (pH 6-8) 1.94 5.39 -33.29 1 5 0 56 322.478 4

Activity (Go SEA)

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