UCSF

ZINC36996568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.99 8.88 -31.63 2 3 1 30 275.416 4
Hi High (pH 8-9.5) 2.99 6.62 -4.06 1 3 0 28 274.408 4
Lo Low (pH 4.5-6) 2.99 10.15 -109.63 3 3 2 34 276.424 4

Activity (Go SEA)

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