UCSF

ZINC36639473

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 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) 3.42 6.36 -26.1 3 7 0 111 431.539 7
Hi High (pH 8-9.5) 3.60 3.97 -52.29 2 7 -1 118 430.531 7

Activity (Go SEA)

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