UCSF

ZINC06925034

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 27 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) 4.67 7.84 -11.06 1 6 0 73 384.457 5
Mid Mid (pH 6-8) 4.18 8.04 -42.64 0 6 -1 72 383.449 6
Lo Low (pH 4.5-6) 4.18 8.39 -16.61 1 6 0 70 384.457 6

Activity (Go SEA)

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