UCSF

ZINC36230904

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) 2.20 6.42 -106.9 4 3 2 41 256.434 6
Hi High (pH 8-9.5) 2.20 6.04 -31.64 3 3 1 40 255.426 6

Activity (Go SEA)

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