UCSF

ZINC17301094

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 25 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) 3.00 4.33 -11.86 2 6 0 85 362.451 6
Mid Mid (pH 6-8) 3.00 4.35 -43.31 1 6 -1 87 361.443 6

Activity (Go SEA)

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