UCSF

ZINC37051824

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.49 6.67 -36.51 2 4 1 38 305.471 5
Hi High (pH 8-9.5) 1.49 5.52 -6.53 1 4 0 33 304.463 5
Mid Mid (pH 6-8) 1.49 6.88 -36 2 4 1 34 305.471 5
Lo Low (pH 4.5-6) 1.49 6.83 -93.69 3 4 2 39 306.479 5

Activity (Go SEA)

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