UCSF

ZINC34379978

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 36 No

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) 1.62 11.43 -71.48 3 9 -1 154 493.536 7
Hi High (pH 8-9.5) 1.62 10.81 -134.38 2 9 -2 150 492.528 7
Mid Mid (pH 6-8) 1.62 9.46 -35.95 4 9 0 152 494.544 7

Activity (Go SEA)

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