UCSF

ZINC03216448

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 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) 3.83 -2.65 -39.76 1 8 0 93 511.003 6
Hi High (pH 8-9.5) 3.83 -2.11 -80.15 0 8 -1 95 509.995 6

Activity (Go SEA)

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