UCSF

ZINC53157572

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 1.50 1.9 -54.13 3 4 1 49 303.785 6
Hi High (pH 8-9.5) 1.50 0.47 -7.19 2 4 0 45 302.777 6
Mid Mid (pH 6-8) 1.50 4.21 -121.96 4 4 2 51 304.793 6

Activity (Go SEA)

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