UCSF

ZINC44623992

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 3.75 7.6 -40.27 2 3 1 34 311.247 4
Hi High (pH 8-9.5) 3.75 6.79 -5.94 1 3 0 30 310.239 4
Lo Low (pH 4.5-6) 3.75 8.21 -103.75 3 3 2 36 312.255 4

Activity (Go SEA)

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