UCSF

ZINC35500682

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 21 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) 2.84 6.2 -63.64 3 4 1 63 287.314 4
Hi High (pH 8-9.5) 3.30 3.56 -85.04 2 4 0 66 286.306 4
Hi High (pH 8-9.5) 3.30 2.62 -49.81 1 4 -1 61 285.298 4
Hi High (pH 8-9.5) 2.84 5.26 -11.16 2 4 0 58 286.306 4

Activity (Go SEA)

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