UCSF

ZINC37095987

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 5.19 9.39 -115.84 4 2 2 32 284.532 4
Hi High (pH 8-9.5) 5.19 7.87 -41.11 3 2 1 31 283.524 4
Hi High (pH 8-9.5) 5.19 9.27 -29.26 3 2 1 30 283.524 4

Activity (Go SEA)

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