UCSF

ZINC36785156

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) 0.94 4.66 -115.95 4 4 2 51 256.39 3
Hi High (pH 8-9.5) 0.94 4.42 -31.35 3 4 1 49 255.382 3
Mid Mid (pH 6-8) 0.94 2.79 -40.03 3 4 1 49 255.382 3

Activity (Go SEA)

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