UCSF

ZINC33775375

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 37 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) 3.55 9.97 -59.27 0 8 -1 91 507.607 11
Mid Mid (pH 6-8) 3.55 12.31 -78.58 1 8 0 93 508.615 11
Lo Low (pH 4.5-6) 3.55 11.02 -66.02 2 8 1 90 509.623 11

Activity (Go SEA)

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