UCSF

ZINC31945444

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 1.03 2.3 -53.03 5 5 1 80 282.389 7
Hi High (pH 8-9.5) 1.03 0.04 -32.1 4 5 0 79 281.381 7

Activity (Go SEA)

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