UCSF

ZINC36775885

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.87 6.88 -47.88 3 3 1 44 284.427 7
Hi High (pH 8-9.5) 0.87 6.18 -4.23 2 3 0 42 283.419 7
Lo Low (pH 4.5-6) 0.87 7.33 -98.28 4 3 2 45 285.435 7

Activity (Go SEA)

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