UCSF

ZINC34677711

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 34 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) 1.31 4.52 -53.24 2 9 1 87 476.573 9
Mid Mid (pH 6-8) 1.31 2.24 -12.56 1 9 0 86 475.565 9

Activity (Go SEA)

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