UCSF

ZINC21128550

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 35 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) 3.90 12.69 -15.68 0 7 0 63 495.624 10
Mid Mid (pH 6-8) 3.90 15.03 -53.77 1 7 1 65 496.632 10

Activity (Go SEA)

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