UCSF

ZINC70615325

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 12 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) 1.65 3.66 -42.9 3 2 1 41 203.718 3
Hi High (pH 8-9.5) 1.65 3.29 -3.11 2 2 0 39 202.71 3

Activity (Go SEA)

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