UCSF

ZINC34527003

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 27 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) 2.37 4.15 -14.08 2 7 0 97 383.429 6
Hi High (pH 8-9.5) 2.37 4.16 -46.81 1 7 -1 99 382.421 6

Activity (Go SEA)

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