UCSF

ZINC36273120

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 24 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) 4.12 10.79 -39.5 3 4 1 48 323.464 6
Mid Mid (pH 6-8) 4.12 10.44 -23.32 3 4 1 48 323.464 6
Mid Mid (pH 6-8) 4.12 11.24 -83.59 4 4 2 49 324.472 6
Mid Mid (pH 6-8) 4.12 8.42 -8.99 2 4 0 47 322.456 6

Activity (Go SEA)

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