UCSF

ZINC11767053

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2008 29 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) 1.35 5.12 -55.14 3 8 1 92 403.503 9
Mid Mid (pH 6-8) 1.54 2.64 -53.24 2 8 0 98 402.495 9

Activity (Go SEA)

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