UCSF

ZINC34684018

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 1.04 5.82 -49.99 1 6 0 66 292.335 5
Hi High (pH 8-9.5) 1.04 3.54 -47.14 0 6 -1 65 291.327 5

Activity (Go SEA)

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