UCSF

ZINC53130998

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 13 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) 1.08 5.01 -42.8 2 2 1 29 175.255 4
Hi High (pH 8-9.5) 1.08 3.72 -5.43 1 2 0 25 174.247 4

Activity (Go SEA)

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