UCSF

ZINC36704583

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.20 9.38 -18.4 1 5 0 60 374.487 7
Hi High (pH 8-9.5) 4.38 6.8 -46.84 0 5 -1 67 373.479 7

Activity (Go SEA)

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