UCSF

ZINC33723819

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 37 No

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) 4.86 14.55 -51.53 1 9 0 120 509.603 14
Lo Low (pH 4.5-6) 4.86 13.42 -56.16 2 9 1 117 510.611 14

Activity (Go SEA)

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