UCSF

ZINC37191154

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 2.65 4.69 -12.95 3 5 0 81 316.411 4
Hi High (pH 8-9.5) 2.84 3.29 -48.51 2 5 -1 87 315.403 4

Activity (Go SEA)

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