UCSF

ZINC42900879

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 16 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) 2.57 7.09 -112.06 4 2 2 32 222.376 6
Hi High (pH 8-9.5) 2.57 6.84 -33.19 3 2 1 30 221.368 6
Mid Mid (pH 6-8) 2.57 5.1 -43.4 3 2 1 31 221.368 6

Activity (Go SEA)

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