UCSF

ZINC36724102

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 17 Yes

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) -0.20 -1.7 -11.62 2 5 0 78 257.311 2
Hi High (pH 8-9.5) -0.20 -0.93 -45.22 1 5 -1 81 256.303 2

Activity (Go SEA)

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