UCSF

ZINC37000050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 No

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) 2.94 7.44 -45.18 2 3 1 34 308.284 7
Hi High (pH 8-9.5) 3.12 6 -23.25 1 3 0 40 307.276 7

Activity (Go SEA)

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