UCSF

ZINC02435630

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2004 21 No

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) 4.65 8.21 -7.6 1 4 0 50 362.252 2
Hi High (pH 8-9.5) 5.11 6.46 -41.02 0 4 -1 53 361.244 2

Activity (Go SEA)

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