UCSF

ZINC36870926

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 1.22 4.13 -57.73 4 6 1 102 233.251 3
Hi High (pH 8-9.5) 1.22 3.76 -14.58 3 6 0 101 232.243 3

Activity (Go SEA)

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