UCSF

ZINC36165704

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) -0.33 1.22 -10.66 2 5 0 71 202.217 3
Lo Low (pH 4.5-6) -0.33 1.62 -39.15 3 5 1 72 203.225 3

Activity (Go SEA)

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