UCSF

ZINC10512102

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 29 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) 2.17 -4.02 -105.12 1 10 -2 154 423.399 10
Hi High (pH 8-9.5) 2.17 -3.57 -189.72 0 10 -3 156 422.391 10

Activity (Go SEA)

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