UCSF

ZINC36616934

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 31 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) 1.42 9.03 -13.27 0 8 0 72 421.549 7
Mid Mid (pH 6-8) 1.42 11.23 -54.11 1 8 1 73 422.557 7

Activity (Go SEA)

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