UCSF

ZINC34668816

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 34 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) 2.99 7.54 -10.56 0 7 0 56 463.557 6
Mid Mid (pH 6-8) 2.99 9.82 -56.87 1 7 1 57 464.565 6
Lo Low (pH 4.5-6) 2.99 12.02 -112.11 2 7 2 58 465.573 6

Activity (Go SEA)

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