UCSF

ZINC34957423

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 3.13 4.97 -45.75 1 6 -1 102 376.233 4
Mid Mid (pH 6-8) 2.21 4.66 -112.67 0 6 -2 101 375.225 5

Activity (Go SEA)

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