UCSF

ZINC34671810

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 32 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) 5.21 12.93 -13.47 1 4 0 42 428.576 7
Lo Low (pH 4.5-6) 5.21 14.75 -43.24 2 4 1 43 429.584 7

Activity (Go SEA)

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