UCSF

ZINC34678630

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 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) 4.28 16.15 -36.31 1 6 1 54 482.53 4
Hi High (pH 8-9.5) 4.28 15.93 -11.8 0 6 0 53 481.522 4

Activity (Go SEA)

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