UCSF

ZINC36360086

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 28 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 3.22 -14.53 1 8 0 86 405.476 5
Ref Reference (pH 7) 1.81 5.72 -13.53 1 8 0 82 405.476 5

Activity (Go SEA)

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