UCSF

ZINC38001987

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 No

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) 5.35 7.82 -7.62 0 2 0 40 322.203 3
Mid Mid (pH 6-8) 4.16 10.64 -13.63 0 2 0 34 323.211 4

Activity (Go SEA)

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