UCSF

ZINC34797435

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.52 9.19 -41.98 3 8 1 94 428.509 9
Hi High (pH 8-9.5) 3.52 7.31 -10.34 2 8 0 93 427.501 9

Activity (Go SEA)

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