UCSF

ZINC57815747

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 26 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) 2.44 9.83 -48.86 2 6 1 63 368.486 4
Mid Mid (pH 6-8) 2.44 7.48 -10.21 1 6 0 61 367.478 4

Activity (Go SEA)

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