UCSF

ZINC36237927

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.83 11.43 -51.12 2 5 1 46 377.512 6
Mid Mid (pH 6-8) 3.83 11.45 -83.82 3 5 2 48 378.52 6

Activity (Go SEA)

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