UCSF

ZINC34583572

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 10 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) 0.10 0.44 -96.93 6 3 2 68 139.202 1
Hi High (pH 8-9.5) 0.10 -0 -25.44 5 3 1 66 138.194 1
Hi High (pH 8-9.5) 0.10 -0.43 -4.98 4 3 0 65 137.186 1
Mid Mid (pH 6-8) 0.10 0.01 -46.39 5 3 1 67 138.194 1

Activity (Go SEA)

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