UCSF

ZINC70616636

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 16 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) -0.83 3.98 -55.03 3 6 1 74 219.272 1
Hi High (pH 8-9.5) -0.83 3.69 -10.83 2 6 0 72 218.264 1

Activity (Go SEA)

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