UCSF

ZINC70505903

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 2.67 6.53 -41.66 3 4 1 62 276.356 7
Hi High (pH 8-9.5) 2.67 5.56 -53.24 1 4 -1 64 274.34 7
Mid Mid (pH 6-8) 2.67 4.55 -9 2 4 0 61 275.348 7
Mid Mid (pH 6-8) 2.67 7.55 -55.34 2 4 0 65 275.348 7

Activity (Go SEA)

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