UCSF

ZINC34578406

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 35 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) 5.46 14.54 -47.69 2 5 1 53 504.441 5
Hi High (pH 8-9.5) 5.46 13.54 -12.03 1 5 0 52 503.433 5
Lo Low (pH 4.5-6) 5.46 15.44 -127.57 3 5 2 58 505.449 5

Activity (Go SEA)

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