UCSF

ZINC20393357

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) 3.71 10.48 -43.22 1 7 1 59 453.636 3
Mid Mid (pH 6-8) 3.71 8.1 -7.69 0 7 0 58 452.628 3

Activity (Go SEA)

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