UCSF

ZINC37047961

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 1.32 2.23 -52.65 2 7 -1 111 309.323 5
Hi High (pH 8-9.5) 1.32 2.98 -96.24 1 7 -2 114 308.315 5

Activity (Go SEA)

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