UCSF

ZINC30901275

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 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) 1.96 5.64 -36.63 2 4 1 52 280.351 5
Mid Mid (pH 6-8) 1.96 4.13 -9.16 1 4 0 47 279.343 5

Activity (Go SEA)

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