UCSF

ZINC49757495

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 36 No

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) 8.87 20.19 -24.1 2 5 1 57 492.728 14
Hi High (pH 8-9.5) 8.87 19.91 -15.8 1 5 0 56 491.72 14
Mid Mid (pH 6-8) 8.87 20.02 -83.91 3 5 2 61 493.736 14

Activity (Go SEA)

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