UCSF

ZINC48366630

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 17 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) 2.11 4.77 -32.62 2 3 1 28 243.415 7
Hi High (pH 8-9.5) 2.11 7.18 -37.06 2 3 1 32 243.415 7
Mid Mid (pH 6-8) 2.11 4.12 -33.23 2 3 1 28 243.415 7

Activity (Go SEA)

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