UCSF

ZINC04368804

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 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) 3.32 12.49 -10.95 1 6 0 69 312.373 6
Hi High (pH 8-9.5) 3.50 12.27 -37.21 0 6 -1 71 311.365 6
Lo Low (pH 4.5-6) 3.50 12.93 -51.13 2 6 1 74 313.381 6

Activity (Go SEA)

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