UCSF

ZINC35500667

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 3.52 6.2 -55.37 3 4 1 63 381.193 3
Hi High (pH 8-9.5) 3.98 2.7 -49.22 1 4 -1 61 379.177 3
Mid Mid (pH 6-8) 3.98 3.57 -75.06 2 4 0 66 380.185 3

Activity (Go SEA)

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