UCSF

ZINC08598997

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2007 30 Yes

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) 2.31 8.22 -15.97 2 8 0 98 425.514 9

Activity (Go SEA)

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