UCSF

ZINC34995844

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 3.71 8.14 -35.69 2 2 1 20 265.465 4
Hi High (pH 8-9.5) 3.71 8.76 -29.4 2 2 1 16 265.465 4
Mid Mid (pH 6-8) 3.71 9.94 -116.87 3 2 2 21 266.473 4

Activity (Go SEA)

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