UCSF

ZINC60390427

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2011 27 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) 2.95 9.61 -17.01 0 6 0 57 367.449 7
Mid Mid (pH 6-8) 2.95 10.01 -32.39 1 6 1 58 368.457 7

Activity (Go SEA)

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