UCSF

ZINC08617800

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2007 29 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) 4.70 9.16 -11.55 0 7 0 79 412.467 6
Ref Reference (pH 7) 4.70 9.59 -11.22 0 7 0 79 412.467 6

Activity (Go SEA)

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