UCSF

ZINC46078057

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 23 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) 3.79 9.08 -34.58 1 5 1 48 312.441 3
Hi High (pH 8-9.5) 3.79 6.76 -10.46 0 5 0 47 311.433 3

Activity (Go SEA)

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