UCSF

ZINC39972742

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 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) 2.04 4.91 -59.3 2 8 -1 115 362.435 6
Mid Mid (pH 6-8) 2.04 5.25 -16.95 3 8 0 113 363.443 6

Activity (Go SEA)

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