UCSF

ZINC31961581

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 25 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) 1.23 5.47 -99.04 6 6 2 86 341.459 6
Hi High (pH 8-9.5) 1.23 5.07 -49.56 5 6 1 84 340.451 6
Mid Mid (pH 6-8) 1.23 5.91 -167.29 7 6 3 87 342.467 6

Activity (Go SEA)

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