UCSF

ZINC08596722

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2007 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) 2.41 9.85 -42.63 2 8 1 93 491.678 10
Hi High (pH 8-9.5) 2.41 7.72 -17.93 1 8 0 92 490.67 10

Activity (Go SEA)

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