UCSF

ZINC34959105

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 18 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) 1.16 3.7 -94.63 5 3 2 52 254.349 4
Hi High (pH 8-9.5) 1.16 3.3 -33.81 4 3 1 51 253.341 4

Activity (Go SEA)

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