UCSF

ZINC36831019

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.12 5.49 -13.01 1 5 0 51 342.386 7
Mid Mid (pH 6-8) 3.12 7.43 -49.96 2 5 1 52 343.394 7

Activity (Go SEA)

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