UCSF

ZINC35587817

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 32 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) 4.35 6.22 -54.67 0 7 -1 95 475.543 6
Mid Mid (pH 6-8) 4.35 6.1 -17.49 1 7 0 93 476.551 6

Activity (Go SEA)

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