UCSF

ZINC42781435

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.92 5.27 -9.89 1 4 0 53 262.231 4
Hi High (pH 8-9.5) 1.92 6.3 -41.27 1 4 0 58 262.231 4
Mid Mid (pH 6-8) 1.92 6.27 -49.16 0 4 -1 56 261.223 4

Activity (Go SEA)

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