UCSF

ZINC34937456

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 19 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) 0.21 4.11 -47.59 2 6 1 66 272.369 5
Hi High (pH 8-9.5) 0.21 3.14 -14.46 1 6 0 62 271.361 5

Activity (Go SEA)

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