UCSF

ZINC50055681

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 21 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) 2.02 4.4 -47.27 1 6 0 80 309.391 7
Hi High (pH 8-9.5) 2.02 2.31 -53.83 0 6 -1 78 308.383 7
Mid Mid (pH 6-8) 1.56 5.12 -15.17 1 6 0 75 309.391 7
Mid Mid (pH 6-8) 1.56 6.93 -51.94 2 6 1 76 310.399 7

Activity (Go SEA)

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