UCSF

ZINC34527018

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 1.95 2.07 -14.73 2 6 0 85 306.343 5
Hi High (pH 8-9.5) 1.95 2.09 -45.55 1 6 -1 87 305.335 5

Activity (Go SEA)

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