UCSF

ZINC08990043

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 27 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) 6.13 12.86 -15.18 1 5 0 75 420.266 4
Mid Mid (pH 6-8) 6.13 13.2 -43.08 2 5 1 76 421.274 4

Activity (Go SEA)

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