UCSF

ZINC45663366

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 1.71 4.63 -30.31 3 4 1 43 266.409 8
Mid Mid (pH 6-8) 1.71 4.9 -34.29 3 4 1 43 266.409 8
Lo Low (pH 4.5-6) 1.71 7.09 -101.27 4 4 2 44 267.417 8

Activity (Go SEA)

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