UCSF

ZINC36204190

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 25 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) 1.74 6.96 -48.3 2 7 1 80 365.479 6
Hi High (pH 8-9.5) 1.74 4.68 -11.74 1 7 0 79 364.471 6
Mid Mid (pH 6-8) 1.74 6.92 -56.23 2 7 1 80 365.479 6

Activity (Go SEA)

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