UCSF

ZINC37748544

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 15 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) -0.22 2.11 -48.46 4 4 1 81 204.253 3
Hi High (pH 8-9.5) -0.22 1.7 -10.27 3 4 0 79 203.245 3

Activity (Go SEA)

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