UCSF

ZINC40938359

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 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) 2.20 -1.1 -14.34 4 6 0 111 286.239 1
Hi High (pH 8-9.5) 2.20 -0.08 -45.82 3 6 -1 114 285.231 1

Activity (Go SEA)

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