UCSF

ZINC53517345

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 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) 2.51 7.42 -31.29 2 7 0 87 389.459 3
Mid Mid (pH 6-8) 2.97 7.29 -51.14 2 7 0 91 389.459 3

Activity (Go SEA)

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