UCSF

ZINC54931763

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 13 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) 1.47 -0.17 -59.46 2 4 0 65 197.263 2
Hi High (pH 8-9.5) 1.47 -1.86 -46.59 1 4 -1 61 196.255 2
Mid Mid (pH 6-8) 1.01 1.79 -52.56 3 4 1 62 198.271 2

Activity (Go SEA)

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