UCSF

ZINC08903765

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 34 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) 4.57 11.67 -59.29 0 8 -1 113 479.534 8
Mid Mid (pH 6-8) 5.01 11.76 -23.31 1 8 0 110 480.542 7

Activity (Go SEA)

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