UCSF

ZINC44844840

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 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) 1.78 4.9 -4.93 2 4 0 50 311.495 7
Mid Mid (pH 6-8) 1.78 7.06 -37.78 3 4 1 51 312.503 7

Activity (Go SEA)

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