UCSF

ZINC04369472

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 26 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) 4.22 12.9 -11.1 1 6 0 69 376.457 7
Hi High (pH 8-9.5) 4.40 12.71 -35.34 0 6 -1 71 375.449 7
Mid Mid (pH 6-8) 4.40 13.1 -9.45 1 6 0 72 376.457 7

Activity (Go SEA)

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