UCSF

ZINC37981365

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 20 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) 3.18 6.7 -7.46 1 6 0 88 312.112 3
Hi High (pH 8-9.5) 3.24 5.29 -36.51 0 6 -1 94 311.104 3

Activity (Go SEA)

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