UCSF

ZINC32895758

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2009 33 No

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) 4.68 13.26 -44.86 0 6 -1 64 458.563 6
Mid Mid (pH 6-8) 3.95 14.75 -22.3 1 6 0 67 459.571 6

Activity (Go SEA)

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