UCSF

ZINC26397202

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 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) 2.35 3.42 -14.5 2 5 0 61 303.387 2
Hi High (pH 8-9.5) 2.35 2.75 -48.33 1 5 -1 64 302.379 2
Lo Low (pH 4.5-6) 2.35 4.18 -52.94 3 5 0 63 304.395 2

Activity (Go SEA)

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