UCSF

ZINC46795855

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2010 20 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) 2.18 4.12 -10.06 1 6 0 76 306.428 7
Hi High (pH 8-9.5) 2.18 3.98 -43.03 0 6 -1 78 305.42 7

Activity (Go SEA)

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