UCSF

ZINC34978186

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) 2.86 8.82 -9.57 0 2 0 18 267.17 4
Mid Mid (pH 6-8) 2.86 9.26 -29.47 1 2 1 19 268.178 4

Activity (Go SEA)

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