UCSF

ZINC20153961

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 27 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) 2.82 6.4 -51.25 3 6 1 58 369.489 7
Mid Mid (pH 6-8) 2.82 6.46 -49.76 3 6 1 58 369.489 7
Mid Mid (pH 6-8) 2.82 4.08 -15.56 2 6 0 57 368.481 7

Activity (Go SEA)

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