UCSF

ZINC36329566

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 38 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) 1.74 7.22 -58.08 1 12 0 145 523.546 6
Mid Mid (pH 6-8) 1.18 4.65 -42.53 0 12 -1 144 522.538 6
Mid Mid (pH 6-8) 2.43 7.21 -15.24 1 12 0 137 523.546 6
Mid Mid (pH 6-8) 1.74 4.8 -43.12 0 12 -1 144 522.538 6

Activity (Go SEA)

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