UCSF

ZINC01191416

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 26 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) 2.26 5.24 -18.51 2 7 0 93 422.21 5
Hi High (pH 8-9.5) 2.72 3.49 -42.91 1 7 -1 96 421.202 5
Hi High (pH 8-9.5) 2.72 3.23 -56.53 1 7 -1 96 421.202 5
Mid Mid (pH 6-8) 3.17 3.72 -49.03 1 7 -1 99 421.202 5

Activity (Go SEA)

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