UCSF

ZINC43916075

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 1.93 5.16 -34.22 2 4 1 38 265.377 6
Hi High (pH 8-9.5) 1.93 3.35 -3.58 1 4 0 34 264.369 6
Lo Low (pH 4.5-6) 1.93 5.48 -112.7 3 4 2 40 266.385 6

Activity (Go SEA)

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