UCSF

ZINC37292680

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 4.27 10.52 -33.19 2 2 1 16 305.873 4
Hi High (pH 8-9.5) 4.27 8.27 -2.19 1 2 0 15 304.865 4
Lo Low (pH 4.5-6) 4.27 11.49 -115.51 3 2 2 21 306.881 4

Activity (Go SEA)

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