UCSF

ZINC36996438

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 3.22 7.99 -33.49 2 2 1 16 265.808 3
Hi High (pH 8-9.5) 3.22 5.74 -2.04 1 2 0 15 264.8 3
Lo Low (pH 4.5-6) 3.22 9.14 -116.71 3 2 2 21 266.816 3

Activity (Go SEA)

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