UCSF

ZINC34330496

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 16 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) -0.45 -0.97 -50.16 2 5 -1 98 239.228 1
Hi High (pH 8-9.5) -0.45 -0.2 -102.32 1 5 -2 100 238.22 1

Activity (Go SEA)

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