UCSF

ZINC11635160

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2008 21 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) 4.12 -4.31 -12.99 1 4 0 63 433.121 4
Hi High (pH 8-9.5) 4.12 -3.73 -46.1 0 4 -1 65 432.113 4

Activity (Go SEA)

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