UCSF

ZINC34678965

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 34 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) 0.74 6.53 -20.5 2 9 0 109 464.501 7
Lo Low (pH 4.5-6) 0.74 6.99 -53.44 3 9 1 110 465.509 7

Activity (Go SEA)

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