UCSF

ZINC13576094

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 32 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) 7.19 12.42 -12.34 1 5 0 64 485.392 6
Ref Reference (pH 7) 6.70 12.3 -43.04 0 5 -1 63 484.384 7

Activity (Go SEA)

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