UCSF

ZINC36213523

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 31 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) 3.52 7.7 -15.86 1 8 0 102 495.425 8
Hi High (pH 8-9.5) 3.52 7.65 -48.63 0 8 -1 104 494.417 8

Activity (Go SEA)

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