UCSF

ZINC37038822

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 2.60 5.51 -47.34 3 4 1 51 298.495 10
Mid Mid (pH 6-8) 2.60 7.69 -103.14 4 4 2 52 299.503 10

Activity (Go SEA)

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