UCSF

ZINC36068403

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 27 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) 3.25 12.84 -62.19 1 5 1 63 379.509 4
Hi High (pH 8-9.5) 3.25 10.46 -14.86 0 5 0 62 378.501 4

Activity (Go SEA)

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