UCSF

ZINC34476184

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 13 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) 2.38 2.69 -6.53 1 2 0 29 192.136 2
Hi High (pH 8-9.5) 2.38 3.6 -43.95 0 2 -1 32 191.128 2

Activity (Go SEA)

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