UCSF

ZINC32754696

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 23 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) 2.77 6.17 -8.76 1 5 0 52 312.417 4
Ref Reference (pH 7) 2.77 6.33 -8.09 1 5 0 52 312.417 4
Mid Mid (pH 6-8) 2.77 8.58 -55.12 2 5 1 53 313.425 4
Mid Mid (pH 6-8) 2.77 8.7 -43.95 2 5 1 53 313.425 4

Activity (Go SEA)

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