UCSF

ZINC35229992

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 20 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) 0.95 1.37 -51.88 2 7 -1 111 295.296 4
Hi High (pH 8-9.5) 0.95 2.12 -96.08 1 7 -2 114 294.288 4

Activity (Go SEA)

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