UCSF

ZINC04124122

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 27 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) 2.97 -0.32 -45.03 1 6 1 50 359.457 3

Activity (Go SEA)

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