UCSF

ZINC37856295

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 No

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) 2.61 0.04 -87.06 0 8 -2 130 347.761 4
Mid Mid (pH 6-8) 2.61 -0.74 -33.04 1 8 -1 127 348.769 4
Lo Low (pH 4.5-6) 2.15 2.04 -15.88 2 8 0 125 349.777 4

Activity (Go SEA)

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