UCSF

ZINC23334659

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 33 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) 5.05 12.75 -19.38 1 5 0 59 446.501 5
Mid Mid (pH 6-8) 5.05 14.53 -64.57 2 5 1 61 447.509 5

Activity (Go SEA)

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