UCSF

ZINC36992270

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 4.69 5.82 -39.83 3 3 1 46 312.842 5
Hi High (pH 8-9.5) 4.69 4.99 -6.86 2 3 0 41 311.834 5

Activity (Go SEA)

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