UCSF

ZINC36986403

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 2.28 4.22 -41.93 2 3 1 35 222.308 2
Hi High (pH 8-9.5) 2.28 3.08 -3.98 1 3 0 30 221.3 2

Activity (Go SEA)

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