UCSF

ZINC25814687

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 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) 2.08 5.19 -59.73 4 7 1 84 391.517 9
Mid Mid (pH 6-8) 2.08 2.93 -25.7 3 7 0 83 390.509 9

Activity (Go SEA)

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