UCSF

ZINC02596317

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 32 No

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) 2.58 4.95 -33.99 5 12 1 162 440.488 7
Hi High (pH 8-9.5) 2.58 2.49 -9.47 4 12 0 161 439.48 7

Activity (Go SEA)

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