UCSF

ZINC37270939

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 No

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) -2.21 3.56 -54.28 3 6 1 71 275.398 7
Hi High (pH 8-9.5) -2.21 1.35 -24.26 2 6 0 70 274.39 7

Activity (Go SEA)

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