UCSF

ZINC70613558

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 15 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) 2.27 7.13 -100.03 3 2 2 21 212.381 2
Mid Mid (pH 6-8) 2.27 5.79 -30.77 2 2 1 16 211.373 2
Mid Mid (pH 6-8) 2.27 4.93 -38.09 2 2 1 20 211.373 2

Activity (Go SEA)

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