UCSF

ZINC37241094

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 4.86 7.81 -34.31 2 2 1 20 269.497 8
Hi High (pH 8-9.5) 4.86 10.17 -30.18 2 2 1 16 269.497 8
Mid Mid (pH 6-8) 4.86 10.55 -115.19 3 2 2 21 270.505 8

Activity (Go SEA)

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