UCSF

ZINC37096135

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 4.16 8.69 -30.99 1 3 1 30 312.89 5
Hi High (pH 8-9.5) 4.16 6.95 -5.69 0 3 0 29 311.882 5

Activity (Go SEA)

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