UCSF

ZINC37000042

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 5.95 10.96 -2.47 1 1 0 12 346.312 6
Mid Mid (pH 6-8) 5.95 12.16 -40.81 2 1 1 17 347.32 6

Activity (Go SEA)

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