UCSF

ZINC37238689

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 1.65 2.99 -46.46 0 6 -1 81 317.412 4
Mid Mid (pH 6-8) 1.65 5.22 -69.43 1 6 0 82 318.42 4

Activity (Go SEA)

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