UCSF

ZINC34987166

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 28 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) 2.58 9.24 -12.51 1 5 0 62 381.52 8
Lo Low (pH 4.5-6) 2.58 9.6 -44.9 2 5 1 64 382.528 8

Activity (Go SEA)

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