UCSF

ZINC36785329

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.93 9.42 -36.88 1 3 1 37 245.346 6
Hi High (pH 8-9.5) 2.93 7.12 -7.84 0 3 0 36 244.338 6

Activity (Go SEA)

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