UCSF

ZINC39917796

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.33 15.73 -47.29 1 5 1 41 436.62 11
Mid Mid (pH 6-8) 5.33 16.04 -100.7 2 5 2 42 437.628 11

Activity (Go SEA)

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