UCSF

ZINC43977969

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.85 5.7 -34.22 2 3 1 29 257.442 10
Hi High (pH 8-9.5) 2.85 4.57 -1.99 1 3 0 24 256.434 10
Mid Mid (pH 6-8) 2.85 6.05 -27.95 2 3 1 26 257.442 10

Activity (Go SEA)

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