UCSF

ZINC34989471

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 3.80 6.49 -43.41 3 4 1 62 280.388 9
Hi High (pH 8-9.5) 3.80 5.5 -53.82 1 4 -1 64 278.372 9
Hi High (pH 8-9.5) 3.80 4.57 -9.48 2 4 0 61 279.38 9
Mid Mid (pH 6-8) 3.80 7.5 -57.64 2 4 0 65 279.38 9

Activity (Go SEA)

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