UCSF

ZINC37241928

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 2.08 5.03 -39.04 2 2 1 20 223.315 3
Mid Mid (pH 6-8) 2.08 7.27 -108.64 3 2 2 21 224.323 3

Activity (Go SEA)

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