UCSF

ZINC37838453

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.95 5.42 -66.28 1 7 0 97 329.403 5
Hi High (pH 8-9.5) 0.95 5.1 -53.84 0 7 -1 95 328.395 5

Activity (Go SEA)

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