UCSF

ZINC36359766

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 27 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) 2.85 7.6 -57.52 1 7 -1 100 362.365 4
Lo Low (pH 4.5-6) 2.66 10.73 -78.04 2 7 0 98 363.373 4

Activity (Go SEA)

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