UCSF

ZINC08996769

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 33 No

Download: MOL2 SDF SMILES Flexibase

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) 3.40 11.3 -59.18 0 10 -1 145 444.379 5
Mid Mid (pH 6-8) 3.85 11.33 -16.89 1 10 0 143 445.387 4

Activity (Go SEA)

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