UCSF

ZINC08915090

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 31 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) 4.26 9.93 -59.11 0 7 -1 100 433.465 5
Mid Mid (pH 6-8) 3.68 11.15 -13 0 7 0 94 434.473 5
Mid Mid (pH 6-8) 4.71 10.04 -20.47 1 7 0 97 434.473 4

Activity (Go SEA)

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