UCSF

ZINC37818986

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.23 0.9 -42.95 5 5 1 91 242.343 6
Hi High (pH 8-9.5) 0.23 2.02 -13.01 4 5 0 89 241.335 6

Activity (Go SEA)

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