UCSF

ZINC12306735

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2008 30 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) 3.61 12.58 -38.59 2 5 1 51 407.513 7
Lo Low (pH 4.5-6) 3.61 12.87 -103.13 3 5 2 53 408.521 7

Activity (Go SEA)

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