UCSF

ZINC60086968

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 13 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) 0.44 3.53 -115.21 4 3 2 46 181.283 5
Hi High (pH 8-9.5) 0.44 2.36 -33.81 3 3 1 42 180.275 5
Mid Mid (pH 6-8) 0.44 2.28 -34.03 3 3 1 42 180.275 5

Activity (Go SEA)

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