UCSF

ZINC34668275

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 29 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) 3.63 9.01 -9.99 1 5 0 49 389.499 6
Mid Mid (pH 6-8) 3.63 11.22 -51.2 2 5 1 50 390.507 6

Activity (Go SEA)

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