UCSF

ZINC09411044

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 31 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) 3.46 9.01 -18 1 7 0 79 428.46 4
Hi High (pH 8-9.5) 3.46 10 -55.18 0 7 -1 82 427.452 4

Activity (Go SEA)

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