UCSF

ZINC34961820

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 22 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) 4.32 8.06 -46.09 2 4 -1 81 311.442 14
Lo Low (pH 4.5-6) 4.32 6.08 -7.73 3 4 0 78 312.45 14

Activity (Go SEA)

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