UCSF

ZINC36070400

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 28 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) 3.03 12.09 -50.89 1 6 1 70 396.492 5
Hi High (pH 8-9.5) 3.03 9.67 -15.7 0 6 0 68 395.484 5

Activity (Go SEA)

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