UCSF

ZINC37168509

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 1.83 6.53 -41.73 2 2 1 20 275.441 2
Hi High (pH 8-9.5) 1.83 5.44 -3.48 1 2 0 15 274.433 2
Lo Low (pH 4.5-6) 1.83 7.95 -36.92 2 2 1 16 275.441 2

Activity (Go SEA)

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