UCSF

ZINC27650206

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 12 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) -3.30 -1.05 -63.88 4 5 0 97 174.2 3
Hi High (pH 8-9.5) -3.30 -1.37 -42.59 3 5 -1 95 173.192 3

Activity (Go SEA)

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