UCSF

ZINC16130764

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 19 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) 4.20 4.32 -7.17 1 4 0 59 426.517 3
Hi High (pH 8-9.5) 4.20 4.39 -30.25 0 4 -1 61 425.509 3

Activity (Go SEA)

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