UCSF

ZINC37835258

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.93 7.74 -58.63 0 5 -1 64 297.419 6
Mid Mid (pH 6-8) 1.93 9.64 -71.69 1 5 0 65 298.427 6
Lo Low (pH 4.5-6) 1.93 7.69 -49.11 2 5 1 62 299.435 6

Activity (Go SEA)

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