UCSF

ZINC00097614

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 1.76 6.7 -24.76 1 8 0 110 308.319 6
Mid Mid (pH 6-8) 1.95 4.33 -44.86 0 8 -1 116 307.311 6

Activity (Go SEA)

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