UCSF

ZINC40747616

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 19 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) 4.18 7.4 -28.23 2 2 1 16 265.465 4
Mid Mid (pH 6-8) 4.18 8.56 -33.39 2 2 1 20 265.465 4
Mid Mid (pH 6-8) 4.18 8.69 -98.81 3 2 2 21 266.473 4

Activity (Go SEA)

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