UCSF

ZINC44518505

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 1.81 8.38 -91.04 3 4 2 47 258.406 8
Hi High (pH 8-9.5) 1.81 7.32 -32.57 2 4 1 43 257.398 8

Activity (Go SEA)

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