UCSF

ZINC39640702

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 26 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) 6.40 15.42 -50.57 0 4 -1 66 361.502 13
Lo Low (pH 4.5-6) 6.40 13.43 -9.02 1 4 0 64 362.51 13

Activity (Go SEA)

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