UCSF

ZINC36170664

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 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) 1.93 4.78 -105.83 4 3 2 35 255.45 3
Hi High (pH 8-9.5) 1.93 2.35 -41.17 3 3 1 34 254.442 3

Activity (Go SEA)

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