UCSF

ZINC34874553

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 37 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) 3.92 11.07 -74.11 3 7 0 102 519.667 14
Hi High (pH 8-9.5) 3.92 9.74 -45.55 2 7 -1 97 518.659 14

Activity (Go SEA)

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