UCSF

ZINC37038001

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) 0.28 6.3 -116.82 4 4 2 52 281.375 4
Hi High (pH 8-9.5) 0.28 5.92 -43.35 3 4 1 51 280.367 4
Mid Mid (pH 6-8) 0.28 4.52 -52.31 3 4 1 51 280.367 4

Activity (Go SEA)

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