UCSF

ZINC37853562

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 2.00 2.82 -7.21 2 3 0 41 253.729 6
Mid Mid (pH 6-8) 2.00 4.2 -46.76 3 3 1 46 254.737 6

Activity (Go SEA)

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