UCSF

ZINC08973833

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 4.36 9.29 -59.45 0 8 -1 105 475.502 7
Mid Mid (pH 6-8) 4.80 8.34 -30.48 1 8 0 102 476.51 6

Activity (Go SEA)

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