UCSF

ZINC35388498

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 18 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 2.99 -44.02 3 7 0 106 259.306 8
Hi High (pH 8-9.5) -1.95 1.76 -57.88 2 7 -1 102 258.298 8

Activity (Go SEA)

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