UCSF

ZINC08704262

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 26 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) 2.47 2.03 -15.48 0 8 0 75 361.446 6
Mid Mid (pH 6-8) 2.47 2.33 -32.65 1 8 1 76 362.454 6

Activity (Go SEA)

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