UCSF

ZINC37020056

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.70 4.96 -47.08 4 5 1 73 277.392 5
Hi High (pH 8-9.5) 1.70 4.63 -8.89 3 5 0 71 276.384 5
Mid Mid (pH 6-8) 1.70 5.28 -91.69 5 5 2 74 278.4 5

Activity (Go SEA)

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