UCSF

ZINC36155008

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 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) 3.65 4.95 -55.92 3 9 1 121 420.486 12
Hi High (pH 8-9.5) 3.65 3.99 -13.3 2 9 0 116 419.478 12

Activity (Go SEA)

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