UCSF

ZINC36893560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.47 9.42 -58.51 0 5 -1 67 287.339 7
Mid Mid (pH 6-8) 2.47 9.79 -51.43 1 5 0 68 288.347 7

Activity (Go SEA)

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