UCSF

ZINC36870981

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) 1.03 2.89 -50.39 4 3 1 56 192.217 2
Hi High (pH 8-9.5) 1.03 2.5 -7.07 3 3 0 55 191.209 2
Hi High (pH 8-9.5) 1.03 2.48 -7.61 3 3 0 55 191.209 2

Activity (Go SEA)

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