UCSF

ZINC44012713

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 No

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) 3.74 6.62 -10.54 1 3 0 47 268.312 5
Hi High (pH 8-9.5) 3.74 7.4 -45.12 0 3 -1 49 267.304 5

Activity (Go SEA)

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