UCSF

ZINC36789478

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 2.44 7.81 -36.41 2 4 1 38 253.414 7
Hi High (pH 8-9.5) 2.44 6.4 -23.22 2 4 1 34 253.414 7
Hi High (pH 8-9.5) 2.44 6.27 -4.78 1 4 0 33 252.406 7
Mid Mid (pH 6-8) 2.44 7.94 -89.15 3 4 2 39 254.422 7

Activity (Go SEA)

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