UCSF

ZINC01268529

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 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) 4.08 8.18 -17.37 1 4 0 51 302.33 3
Hi High (pH 8-9.5) 3.60 7.28 -47.11 0 4 -1 58 301.322 3

Activity (Go SEA)

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