UCSF

ZINC36479714

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 30 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) 4.38 15.04 -47.42 1 4 1 30 406.594 4
Mid Mid (pH 6-8) 4.38 12.6 -9.02 0 4 0 28 405.586 4

Activity (Go SEA)

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